[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 4-methylbenzoate

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 4-methylbenzoate Openeye Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]-oxomethyl]amino]methyl ester IUPAC Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]carbonylamino]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCNC(=O)OC2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCNC(=O)OC2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C25H22N2O5S/c1-16-7-9-18(10-8-16)24(28)31-15-26-25(29)32-21-12-11-19(13-17(21)2)30-14-23-27-20-5-3-4-6-22(20)33-23/h3-13H,14-15H2,1-2H3,(H,26,29)